5,6-Dichloronicotinic acid

HCID 247987CAS 41667-95-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1cnc(Cl)c(Cl)c1
InChIKey: RNRLTTNKVLFZJS-UHFFFAOYSA-N
분자식: C6H3Cl2NO2
평균 분자량: 192 g/mol
단동위원소 질량: 190.9540837

개요

for treatment of Alzheimer's disease; structure in first source

이름 및 식별자

우선 이름: 5,6-Dichloronicotinic acid
IUPAC: 5,6-dichloropyridine-3-carboxylic acid
영어명: 5,6-Dichloronicotinic acid
분자식: C6H3Cl2NO2
분자량: 192

이름 및 동의어

5,6-Dichloronicotinic acid41667-95-2NSC-63885NJ6BKW4XSWDTXSID20289779RefChem:101138DTXCID602409255,6-Dichloropyridine-3-carboxylic acid5,6-Dichloro-3-pyridinecarboxylic AcidMFCD000751812,3-dichloro-5-carboxypyridine3-PYRIDINECARBOXYLIC ACID, 5,6-DICHLORO-

이름 더 보기

2,3-dichloropyridine-5-carboxylic acid5,6-DichL5,6-DichloroTIMTEC-BB SBB003623Avatrhopal Impurity 455,6-DICHLORONICOTINIC AAvatrombopag Impurity 105,6-DichloronicotinicaciAvatroposide impurities16

5,6-DichloronicotinicacidNSC638855.6-dichloronicotinic acid5,6-Dichloro-nicotinic acidCL0206NSC 638855,6-Dichloropyridine-3-carboxylicacidHY-W007398

데이터베이스 식별자

CAS: 41667-95-2
PubChem CID: 247987
DTXSID: DTXSID20289779
UNII: NJ6BKW4XSW
EC Number: 609-951-1
Nikkaji: J89.416H

물성

구조 계산 물성

XLogP: 2
극성 표면적: 50.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 165

물리화학적 성질

녹는점: 164 · 164-168 °C(lit.)
끓는 점: 342.1 · 342.1±37.0 °C(Predicted)
밀도: 1.612 · 1.612±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 2.87 · 2.87±0.10(Predicted)
물리적 상태: 가루
색상: 흰색에서 베이지색, 황갈색까지
BRN: 383740 · 383740
InChI: InChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)
InChIKey: RNRLTTNKVLFZJS-UHFFFAOYSA-N
SMILES: C1=NC(Cl)=C(Cl)C=C1C(O)=O

화학적 성질

white to off-white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (98.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (98.4%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36-26
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도5,6-Dichloronicotinic acid is a dihalonicotinic acid. It is used in the preparation of 5-chloro-6-iodonicotinic acid by iodine displacement.

상·하류 제품 정보

상류 원료

하류 제품

2,3-Dichloropyridine-5-carbonyl chloride 5,6-Dichloronicotinic acid ethyl ester 5-Chloronicotinic acid 3-피리딘카복실산,5,6-디메틸-(9CI)5-chloro-6-(cyclohexyloxy)pyridine-3-carboxylic acid 5-chloro-6-(2-methylpropoxy)pyridine-3-carboxylic acid 6-Methyl-5-(2-methylpropyl)pyridine-3-carboxylic Acid Hydrochloride 5-chloro-6-[4-(ethoxycarbonyl)piperidino]nicotinic acid tert-부틸5,6-디클로로피리딘-3-일카르바메이트 5,6-Dichloro-nicotinic acid tert-butyl ester

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

연결된 노트

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